4-[2-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-(6-amidino-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]isophthalic acid Formula: C30H25N3O4 MolecularWeight: 491.5372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC=CC=C3C4=C(C=C(C=C4)C(=O)O)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(C2=C(C=CC(=C2)C(=N)N)NC1C3=CC=CC=C3C4=C(C=C(C=C4)C(=O)O)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O4/c31-28(32)18-11-13-26-24(14-18)23(17-6-2-1-3-7-17)16-27(33-26)22-9-5-4-8-20(22)21-12-10-19(29(34)35)15-25(21)30(36)37/h1-15,23,27,33H,16H2,(H3,31,32)(H,34,35)(H,36,37)